| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 13th, 2010 | 20 | Yes |
Popular Name: (1S)-N-(cyclohexylmethyl)-1-(3,5-dimethylphenyl)-N-methyl-ethane-1,2-diamine (1S)-N-(cyclohexylmethyl)-1-(3,5…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 3.84 | 9.68 | -122.88 | 4 | 2 | 2 | 32 | 276.468 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.84 | 9.32 | -34.95 | 3 | 2 | 1 | 30 | 275.46 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.84 | 7.99 | -43.06 | 3 | 2 | 1 | 31 | 275.46 | 5 | ↓ |
